3-[3-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-1-(1,3-benzoxazol-2-yl)-2-pyrrolidin-3-yl-piperidine-2-carboxamide

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-1-(1,3-benzoxazol-2-yl)-2-pyrrolidin-3-yl-piperidine-2-carboxamide Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)phenyl]-1-(1,3-benzoxazol-2-yl)-2-pyrrolidin-3-yl-piperidine-2-carboxamide CAS Name: 3-[3-(2-amino-2-oxoethyl)phenyl]-1-(1,3-benzoxazol-2-yl)-2-(3-pyrrolidinyl)-2-piperidinecarboxamide IUPAC Name: 3-[3-(2-amino-2-oxoethyl)phenyl]-1-(1,3-benzoxazol-2-yl)-2-pyrrolidin-3-ylpiperidine-2-carboxamide Traditional Name: 3-[3-(2-amino-2-keto-ethyl)phenyl]-1-(1,3-benzoxazol-2-yl)-2-pyrrolidin-3-yl-pipecolinamide Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C2=NC3=CC=CC=C3O2)(C4CCNC4)C(=O)N)C5=CC(=CC=C5)CC(=O)N

Isomeric SMILES

C1CC(C(N(C1)C2=NC3=CC=CC=C3O2)(C4CCNC4)C(=O)N)C5=CC(=CC=C5)CC(=O)N

InChI

InChI=1S/C25H29N5O3/c26-22(31)14-16-5-3-6-17(13-16)19-7-4-12-30(24-29-20-8-1-2-9-21(20)33-24)25(19,23(27)32)18-10-11-28-15-18/h1-3,5-6,8-9,13,18-19,28H,4,7,10-12,14-15H2,(H2,26,31)(H2,27,32)